Introduction：Basic information about CAS 67801-38-1|orris butenone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | orris butenone |
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| CAS Number | 67801-38-1 | Molecular Weight | 192.29700 |
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| Density | 0.927g/cm3 | Boiling Point | 276ºC at 760 mmHg |
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| Molecular Formula | C13H20O | Melting Point | / |
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| MSDS | / | Flash Point | 116.9ºC |
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Names
| Name | iritone |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.927g/cm3 |
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| Boiling Point | 276ºC at 760 mmHg |
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| Molecular Formula | C13H20O |
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| Molecular Weight | 192.29700 |
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| Flash Point | 116.9ºC |
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| Exact Mass | 192.15100 |
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| PSA | 17.07000 |
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| LogP | 3.37000 |
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| Index of Refraction | 1.508 |
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| InChIKey | FETSKTIMHFKZNF-AATRIKPKSA-N |
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| SMILES | CC(=O)C=CC1C(C)C=C(C)CC1C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- EN0345000
- CHEMICAL NAME :
- 3-Buten-2-one, 4-(2,4,6-trimethyl-3-cyclohexen-1-yl)-
- CAS REGISTRY NUMBER :
- 67801-38-1
- BEILSTEIN REFERENCE NO. :
- 3243121
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C13-H20-O
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 30,131S,1992
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 30,131S,1992
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Synonyms
| TRIMETHYL CYCLOHEXENYL BUTENONE |
| Einecs 267-158-2 |
